Molecule ID: mol32107
SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1ccccc1O)c1ccccc1
InChI: InChI=1S/C39H44N4O5S/c1-39(20-29-21-40-31-12-6-5-11-30(29)31,43-38(47)48-36-27-16-24-15-25(18-27)19-28(36)17-24)37(46)41-22-32(26-9-3-2-4-10-26)42-35(45)23-49-34-14-8-7-13-33(34)44/h2-14,21,24-25,27-28,32,36,40,44H,15-20,22-23H2,1H3,(H,41,46)(H,42,45)(H,43,47)/t24?,25?,27?,28?,32-,36?,39-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | OCHEM | 0 » -1 |